Specification: |
The (E,E)-1-[4-(1-Methylethyl)phenyl]-5-phenyl-1,4-pentadien-3-one, its cas register number is 174493-20-0. It also can be called as 1-(4-Isopropylphenyl)-5-phenylpenta-1,4-dien-3-one and the Systematic name about this chemical is (1E,4E)-1-[4-(1-methylethyl)phenyl]-5-phenylpenta-1,4-dien-3-one.
Following are the chemical properties about (E,E)-1-[4-(1-Methylethyl)phenyl]-5-phenyl-1,4-pentadien-3-one: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 17.07Å2; (5)Index of Refraction: 1.615; (6)Molar Refractivity: 91.81 cm3; (7)Molar Volume: 262.9 cm3; (8)Polarizability: 36.39x10-24cm3; (9)Surface Tension: 41.7 dyne/cm; (10)Enthalpy of Vaporization: 68.69 kJ/mol; (11)Vapour Pressure: 1.21E-07 mmHg at 25°C
This chemical can be described computed from structure:
(1)SMILES:CC(C)c2ccc(/C=C/C(=O)/C=C/c1ccccc1)cc2
(2)InChI: InChI=1/C20H20O/c1-16(2)19-12-8-18(9-13-19)11-15-20(21)14-10-17-6-4-3-5-7-17/h3-16H,1-2H3/b14-10+,15-11+
(3)InChIKey: KKPHUELUADUIDQ-WFYKWJGLBM
(4)Std. InChI: InChI=1S/C20H20O/c1-16(2)19-12-8-18(9-13-19)11-15-20(21)14-10-17-6-4-3-5-7-17/h3-16H,1-2H3/b14-10+,15-11+
(5)Std. InChIKey: KKPHUELUADUIDQ-WFYKWJGLSA-N
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